Dimethyl Sulfoxide → HCID 16038539, compound

HRID 691134Notes

Reaction equation

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

Participants

Reactant 4

HCID 679Dimethyl Sulfoxide

HCID 6342Acetonitrile

HCID 74081-Phenethylamine

HCID 160384712,2,2-Trichloro-1-{10-[(2,2'-dimethyl-1,1'-biphenyl-4-yl)carbonyl]-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl}ethanone

Product 1

HCID 16038539HCID 16038539, compound

Sources & evidence

ORD record: ord-f573bdc24d6a4956b27b34ae2413259d
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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