Dimethyl Sulfoxide → N-[2-(4-Hydroxyphenyl)ethyl]-10-[(2'-methoxy-2-methyl-1,1'-biphenyl-4-yl)carbonyl]-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxamide

HRID 165877Notes

Reaction equation

HRID 165877 reaction equation
[CH3:49][S:50]([CH3:51])=[O:52].[Cl:1][C:2]([C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]2[n:9]1[CH2:10][c:11]1[c:12]([cH:32][cH:33][cH:34][cH:35]1)[N:13]([C:15](=[O:16])[c:17]1[cH:18][c:19]([CH3:31])[c:20](-[c:23]3[c:24]([O:29][CH3:30])[cH:25][cH:26][cH:27][cH:28]3)[cH:21][cH:22]1)[CH2:14]2)([Cl:36])[Cl:37].[NH2:38][CH2:39][CH2:40][c:41]1[cH:42][cH:43][c:44]([OH:45])[cH:46][cH:47]1.[OH2:48]>>[C:3](=[O:4])([c:5]1[cH:6][cH:7][c:8]2[n:9]1[CH2:10][c:11]1[c:12]([cH:32][cH:33][cH:34][cH:35]1)[N:13]([C:15](=[O:16])[c:17]1[cH:18][c:19]([CH3:31])[c:20](-[c:23]3[c:24]([O:29][CH3:30])[cH:25][cH:26][cH:27][cH:28]3)[cH:21][cH:22]1)[CH2:14]2)[NH:38][CH2:39][CH2:40][c:41]1[cH:42][cH:43][c:44]([OH:45])[cH:46][cH:47]1

Participants

5

Reactant 4

HCID 679Dimethyl SulfoxideHCID 962WaterHCID 5610TyramineHCID 219479472,2,2-trichloro-1-[10-(2'-methoxy-2-methyl-biphenyl-4-carbonyl)-10,11-dihydro-5H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-3-yl]-ethanone

Product 1

HCID 16039218N-[2-(4-Hydroxyphenyl)ethyl]-10-[(2'-methoxy-2-methyl-1,1'-biphenyl-4-yl)carbonyl]-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxamide

Sources & evidence

ORD record
ord-70843a5c569f455f91ae827d3841228b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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