Bicarbonate Ion → 2-Naphthalen-2-ylmethyl-1-(11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-2-yl)-isothiourea
Reaction equation
[Br:21][CH2:22][c:23]1[cH:24][c:25]2[cH:26][cH:27][cH:28][cH:29][c:30]2[cH:31][cH:32]1.[C:38](=[O:39])([OH:40])[O-:41].[CH3:33][CH2:34][O:35][CH2:36][CH3:37].[Na+:42].[O:1]=[C:2]1[c:3]2[c:4]([cH:13][cH:14][c:15]([NH:17][C:18](=[S:19])[NH2:20])[cH:16]2)[NH:5][c:6]2[c:7]([cH:9][cH:10][cH:11][cH:12]2)[NH:8]1.[O:43]=[CH:44][N:45]([CH3:46])[CH3:47].[O:48]1[CH2:49][CH2:50][CH2:51][CH2:52]1>>[O:1]=[C:2]1[c:3]2[c:4]([cH:13][cH:14][c:15]([NH:17][C:18]([S:19][CH2:22][c:23]3[cH:24][c:25]4[cH:26][cH:27][cH:28][cH:29][c:30]4[cH:31][cH:32]3)=[NH:20])[cH:16]2)[NH:5][c:6]2[c:7]([cH:9][cH:10][cH:11][cH:12]2)[NH:8]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-ea7bb2b8535d42d9bdff90be3e892ebd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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