1,2-Dichloroethane → 2-[2-oxo-2-[4-oxo-5-[(4-phenylmethoxyphenyl)methyl]-2,3,3a,10a-tetrahydro-1H-cyclopenta[b][1,5]benzodiazepin-10-yl]ethyl]isoindole-1,3-dione

HRID 190347

Reaction equation

HRID 190347 reaction equation
[C:31]1(=[O:45])[c:32]2[c:33]([cH:41][cH:42][cH:43][cH:44]2)[C:34](=[O:40])[N:35]1[CH2:36][C:37](=[O:38])[Cl:39].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]([CH2:13][N:14]2[c:15]3[c:16]([cH:25][cH:26][cH:27][cH:28]3)[NH:17][CH:18]3[CH:19]([C:20]2=[O:21])[CH2:22][CH2:23][CH2:24]3)[cH:29][cH:30]1.[Cl:51][CH2:52][CH2:53][Cl:54].[Na+:46].[OH:47][C:48](=[O:49])[O-:50]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]([CH2:13][N:14]2[c:15]3[c:16]([cH:25][cH:26][cH:27][cH:28]3)[N:17]([C:37]([CH2:36][N:35]3[C:31](=[O:45])[c:32]4[c:33]([cH:41][cH:42][cH:43][cH:44]4)[C:34]3=[O:40])=[O:38])[CH:18]3[CH:19]([C:20]2=[O:21])[CH2:22][CH2:23][CH2:24]3)[cH:29][cH:30]1

Participants

6

Reactant 5

HCID 111,2-DichloroethaneHCID 769Bicarbonate IonHCID 923Sodium ionHCID 812422H-Isoindole-2-acetyl chloride, 1,3-dihydro-1,3-dioxo-HCID 701121305-[(4-Phenylmethoxyphenyl)methyl]-1,2,3,3a,10,10a-hexahydrocyclopenta[b][1,5]benzodiazepin-4-one

Product 1

HCID 701118112-[2-oxo-2-[4-oxo-5-[(4-phenylmethoxyphenyl)methyl]-2,3,3a,10a-tetrahydro-1H-cyclopenta[b][1,5]benzodiazepin-10-yl]ethyl]isoindole-1,3-dione

Sources & evidence

ORD record
ord-67b03ff188864ce6a1c444c4ac1a256e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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