Methanol → HCID 66830071, compound

HRID 90294Notes

Reaction equation

HRID 90294 reaction equation
[C:69]([O:70][CH2:71][CH2:72][Br:73])(=[O:74])[CH3:75].[CH3:76][CH2:77][N:78]([CH2:79][CH3:80])[CH2:81][CH3:82].[CH3:83][OH:84].[Cl:1][c:2]1[c:3]([NH:27][c:28]2[c:29]([C:34]([NH:35][CH3:36])=[O:37])[cH:30][cH:31][cH:32][cH:33]2)[n:4][c:5]([NH:8][c:9]2[cH:10][cH:11][c:12]3[c:13]([cH:26]2)[N:14]([CH3:25])[CH2:15][CH2:16][N:17]([CH2:19][CH2:20][O:21][C:22](=[O:23])[CH3:24])[CH2:18]3)[n:6][cH:7]1.[Cl:38][c:39]1[c:40]([NH:41][c:42]2[cH:43][cH:44][cH:45][cH:46][c:47]2[C:48]([NH:49][CH3:50])=[O:51])[n:52][c:53]([NH:54][c:55]2[cH:56][cH:57][c:58]3[c:65]([cH:66]2)[N:63]([CH3:64])[CH2:62][CH2:61][NH:60][CH2:59]3)[n:67][cH:68]1.[Cl:85][CH2:86][Cl:87].[O:88]=[CH:89][N:90]([CH3:91])[CH3:92]>>[Cl:1][c:2]1[c:3]([NH:27][c:28]2[c:29]([C:34]([NH:35][CH3:36])=[O:37])[cH:30][cH:31][cH:32][cH:33]2)[n:4][c:5]([NH:8][c:9]2[cH:10][cH:11][c:12]3[c:13]([cH:26]2)[N:14]([CH3:25])[CH2:15][CH2:16][N:17]([CH2:19][CH2:20][OH:21])[CH2:18]3)[n:6][cH:7]1

Participants

8

Reactant 7

HCID 887MethanolHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8471TriethylamineHCID 135641-Acetoxy-2-bromoethaneHCID 66830031HCID 66830031, compoundHCID 67263792Acetic acid 2-{8-[5-chloro-4-(2-methylcarbamoyl-phenylamino)-pyrimidin-2-ylamino]-1-methyl-1,2,3,5-tetrahydro-benzo[e][1,4]diazepin-4-yl]-ethyl ester

Product 1

HCID 66830071HCID 66830071, compound

Sources & evidence

ORD record
ord-ac3f856d35c24cf386159478e30b1f8a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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