Dimethyl Sulfoxide → HCID 16039437, compound

HRID 2329353Notes

Reaction equation

[CH3:37][S:38](=[O:39])[CH3:40].[CH3:41][O:42][c:43]1[cH:44][c:45]([CH2:46][NH2:47])[cH:48][cH:49][cH:50]1.[CH3:51][C:52]#[N:53].[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:47][CH2:46][c:45]1[cH:44][c:43]([O:42][CH3:41])[cH:50][cH:49][cH:48]1

Participants

Reactant 4

HCID 679Dimethyl Sulfoxide

HCID 6342Acetonitrile

HCID 211563-Methoxybenzylamine

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 16039437HCID 16039437, compound

Sources & evidence

ORD record: ord-96e8cef7b5c14fbfa8a1a7f446def61b
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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