Hydroxide → (Z)-7-Chloro-5-(4-(4-methoxybenzyloxy)phenyl)-1-methyl-1H-benzo[e][1,4]diazepin-2(3H)-one

HRID 1219008Notes

Reaction equation

HRID 1219008 reaction equation
[CH3:18][O:19][c:20]1[cH:21][cH:22][c:23]([CH2:24][O:25][c:26]2[cH:27][cH:28][c:29]([B:32]3[O:33][C:34]([CH3:35])([CH3:36])[C:37]([CH3:38])([CH3:39])[O:40]3)[cH:30][cH:31]2)[cH:41][cH:42]1.[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[Cl:1][C:2]1=[N:8][CH2:7][C:6](=[O:9])[N:5]([CH3:10])[c:4]2[c:3]1[cH:14][c:13]([Cl:15])[cH:12][cH:11]2.[Cs+:17].[O:44]1[CH2:45][CH2:46][O:47][CH2:48][CH2:49]1.[OH-:16].[OH2:43].[cH:56]1[cH:57][cH:58][c:59]([P:60]([Pd:61]([P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([P:81]([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[P:100]([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)([c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)([c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)[c:125]2[cH:126][cH:127][cH:128][cH:129][cH:130]2)[cH:131][cH:132]1>>[C:2]1([c:29]2[cH:28][cH:27][c:26]([O:25][CH2:24][c:23]3[cH:22][cH:21][c:20]([O:19][CH3:18])[cH:42][cH:41]3)[cH:31][cH:30]2)=[N:8][CH2:7][C:6](=[O:9])[N:5]([CH3:10])[c:4]2[c:3]1[cH:14][c:13]([Cl:15])[cH:12][cH:11]2

Participants

9

Reactant 8

HCID 961HydroxideHCID 962WaterHCID 8857Ethyl AcetateHCID 312751,4-DioxaneHCID 104967Cesium cationHCID 123385855,7-Dichloro-1-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-oneHCID 595943752-{4-[(4-Methoxyphenyl)methoxy]phenyl}-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneHCID 178420554HCID 178420554, compound

Product 1

HCID 59594389(Z)-7-Chloro-5-(4-(4-methoxybenzyloxy)phenyl)-1-methyl-1H-benzo[e][1,4]diazepin-2(3H)-one

Sources & evidence

ORD record
ord-68fa9b1f70c64733a05a5235708560aa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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