Acetone → HCID 10113257, compound

HRID 1215053Notes

Reaction equation

[CH3:39][C:40](=[O:41])[CH3:42].[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]([c:20]1[cH:21][c:22]([CH3:32])[c:23]([C:26]3=[CH:27][CH2:28][CH2:29][CH2:30][CH2:31]3)[cH:24][cH:25]1)=[O:33])[CH2:9]2)([Cl:34])[Cl:35].[ClH:38].[Na+:37].[OH-: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]([c:20]1[cH:21][c:22]([CH3:32])[c:23]([C:26]3=[CH:27][CH2:28][CH2:29][CH2:30][CH2:31]3)[cH:24][cH:25]1)=[O:33])[CH2:9]2)[OH:36]

Participants

Reactant 5

HCID 180Acetone

HCID 313Hydrochloric Acid

HCID 923Sodium ion

HCID 961Hydroxide

HCID 102799352,2,2-Trichloro-1-[10-(4-cyclohex-1-en-1-yl-3-methyl-benzoyl)-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]-ethanone

Product 1

HCID 10113257HCID 10113257, compound

Sources & evidence

ORD record: ord-2d761cf360dc4670b3438c2d1e1e6844
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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