Benzene → HCID 13450726, compound

HRID 158036Notes

Reaction equation

[CH3:1][N:2]1[CH2:3][CH2:4][CH:5]([N:8]2[C:9](=[O:25])[CH2:10][N:11]=[C:12]([c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[c:13]3[c:14]2[cH:15][cH:16][cH:17][cH:18]3)[CH2:6][CH2:7]1.[Cl:26][C:27](=[O:28])[O:29][CH2:30][CH3:31].[Na+:32].[OH2:37].[OH:33][C:34](=[O:35])[O-:36].[cH:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1>>[N:2]1([C:27](=[O:28])[O:29][CH2:30][CH3:31])[CH2:3][CH2:4][CH:5]([N:8]2[C:9](=[O:25])[CH2:10][N:11]=[C:12]([c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[c:13]3[c:14]2[cH:15][cH:16][cH:17][cH:18]3)[CH2:6][CH2:7]1

Participants

Reactant 6

HCID 241Benzene

HCID 769Bicarbonate Ion

HCID 923Sodium ion

HCID 962Water

HCID 10928Ethyl chloroformate

HCID 566582H-1,4-Benzodiazepin-2-one, 1,3-dihydro-1-(1-methyl-4-piperidinyl)-5-phenyl-

Product 1

HCID 13450726HCID 13450726, compound

Sources & evidence

ORD record: ord-07294bdd85154aa1be758a1c9fa70cd9
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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