Hydrochloric Acid → HCID 178521261, compound

HRID 1116821Notes

Reaction equation

HRID 1116821 reaction equation
[C:57]([O:58][CH3:59])([CH3:60])([CH3:61])[CH3:62].[CH2:63]1[O:64][CH2:65][CH2:66][CH2:67]1.[CH3:54][C:55]#[N:56].[CH3:68][c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1.[CH:1]1([C:7]2=[N:13][N:12]([CH2:14][C:15](=[O:16])[Cl:17])[C:11](=[O:18])[N:10]([CH2:19][C:20](=[O:21])[CH:22]3[CH2:23][CH2:24][CH2:25][CH2:26]3)[c:9]3[c:8]2[cH:30][cH:29][cH:28][cH:27]3)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[CH:45]([N:46]([CH2:47][CH3:48])[CH:49]([CH3:50])[CH3:51])([CH3:52])[CH3:53].[ClH:44].[NH2:31][c:32]1[cH:33][c:34](-[c:38]2[nH:39][o:40][c:41](=[O:43])[n:42]2)[cH:35][cH:36][cH:37]1.[cH:75]1[cH:76][cH:77][n:78][cH:79][cH:80]1>>[CH:1]1([C:7]2=[N:13][N:12]([CH2:14][C:15](=[O:16])[NH:31][c:32]3[cH:33][c:34](-[c:38]4[nH:39][o:40][c:41](=[O:43])[n:42]4)[cH:35][cH:36][cH:37]3)[C:11](=[O:18])[N:10]([CH2:19][C:20](=[O:21])[CH:22]3[CH2:23][CH2:24][CH2:25][CH2:26]3)[c:9]3[c:8]2[cH:30][cH:29][cH:28][cH:27]3)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 1049PyridineHCID 1140TolueneHCID 6342AcetonitrileHCID 8028TetrahydrofuranHCID 15413tert-Butyl methyl etherHCID 81531DiisopropylethylamineHCID 57834911[5-Cyclohexyl-1-(2-cyclopentyl-2-oxo-ethyl)-2-oxo-1,2-dihydro-benzo[e][1,2,4]triazepin-3-yl]-acetyl chlorideHCID 178507533HCID 178507533, compound

Product 1

HCID 178521261HCID 178521261, compound

Sources & evidence

ORD record
ord-be0bba0eb8e4483e93629eb73aff8130
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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