Water → Lixivaptan

HRID 666827Notes

Reaction equation

HRID 666827 reaction equation
[CH2:46]([Cl:47])[Cl:48].[CH3:24][c:25]1[c:26]([C:27](=[O:28])[NH:29][c:30]2[cH:31][c:32]([Cl:39])[c:33]([C:34](=[O:35])[Cl:36])[cH:37][cH:38]2)[cH:40][c:41]([F:44])[cH:42][cH:43]1.[CH:15]([N:16]([CH2:17][CH3:18])[CH:19]([CH3:20])[CH3:21])([CH3:22])[CH3:23].[OH2:45].[cH:1]1[cH:2][cH:3][n:4]2[c:5]1[CH2:6][NH:7][c:8]1[c:9]([cH:11][cH:12][cH:13][cH:14]1)[CH2:10]2>>[cH:1]1[cH:2][cH:3][n:4]2[c:5]1[CH2:6][N:7]([C:34]([c:33]1[c:32]([Cl:39])[cH:31][c:30]([NH:29][C:27]([c:26]3[c:25]([CH3:24])[cH:43][cH:42][c:41]([F:44])[cH:40]3)=[O:28])[cH:38][cH:37]1)=[O:35])[c:8]1[c:9]([cH:11][cH:12][cH:13][cH:14]1)[CH2:10]2

Participants

6

Reactant 5

HCID 962WaterHCID 6344DichloromethaneHCID 81531DiisopropylethylamineHCID 10639786Benzoyl chloride, 2-chloro-4-[(5-fluoro-2-methylbenzoyl)amino]-HCID 1554704810,11-Dihydro-5H-benzo[e]pyrrolo[1,2-a][1,4]diazepine

Product 1

HCID 172997Lixivaptan

Sources & evidence

ORD record
ord-04fe0ab8647c4c9db11d01329eb44780
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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