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Dimethyl Sulfoxide → 10-{[(4-Bromophenyl)thio]acetyl}-N-(3,4-dichlorobenzyl)-10,11-dihydro-5H-pyrrolo[2,1-C][1,4]benzodiazepine-3-carboxamide

HRID 313152
Notes
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Reaction equation

HRID 313152 reaction equation
[CH3:42][S:43]([CH3:44])=[O:45].[CH3:46][C:47]#[N:48].[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]([CH2:20][S:21][c:22]1[cH:23][cH:24][c:25]([Br:28])[cH:26][cH:27]1)=[O:29])[CH2:9]2)([Cl:30])[Cl:31].[Cl:32][c:33]1[cH:34][c:35]([CH2:36][NH2:37])[cH:38][cH:39][c:40]1[Cl:41]>>[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]([CH2:20][S:21][c:22]1[cH:23][cH:24][c:25]([Br:28])[cH:26][cH:27]1)=[O:29])[CH2:9]2)[NH:37][CH2:36][c:35]1[cH:34][c:33]([Cl:32])[c:40]([Cl:41])[cH:39][cH:38]1
ParticipantsSources & evidenceReaction notes

Participants

5

Reactant 4

HCID 679Dimethyl SulfoxideHCID 1608Benzenemethanamine, 3,4-dichloro-HCID 6342AcetonitrileHCID 160393672,2,2-trichloro-1-[10-{[(4-bromophenyl)thio]acetyl}-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-3-yl]-ethanone

Product 1

HCID 1603936810-{[(4-Bromophenyl)thio]acetyl}-N-(3,4-dichlorobenzyl)-10,11-dihydro-5H-pyrrolo[2,1-C][1,4]benzodiazepine-3-carboxamide

Sources & evidence

ORD record
ord-99ac58aab53d4a14a26908b37cd2a60d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes