Ammonium → HCID 21505565, compound

HRID 315710Notes

Reaction equation

HRID 315710 reaction equation
[C:28]([CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH3:43])(=[O:44])[Cl:45].[CH3:1][S:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:27]1)[CH:8]([N:17]1[CH2:18][CH2:19][N:20]([CH2:23][CH2:24][CH2:25][OH:26])[CH2:21][CH2:22]1)[CH2:9][c:10]1[c:11]([cH:13][cH:14][cH:15][cH:16]1)[S:12]2.[CH:49]([Cl:50])([Cl:51])[Cl:52].[NH4+:47].[OH-:48].[OH2:46].[cH:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1>>[CH3:1][S:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:27]1)[CH:8]([N:17]1[CH2:18][CH2:19][N:20]([CH2:23][CH2:24][CH2:25][O:26][C:28]([CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH3:43])=[O:44])[CH2:21][CH2:22]1)[CH2:9][c:10]1[c:11]([cH:13][cH:14][cH:15][cH:16]1)[S:12]2

Participants

8

Reactant 7

HCID 223AmmoniumHCID 241BenzeneHCID 961HydroxideHCID 962WaterHCID 6212ChloroformHCID 8206Palmitoyl chlorideHCID 1475773-{4-[8-(Methylsulfanyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazin-1-yl}propan-1-ol

Product 1

HCID 21505565HCID 21505565, compound

Sources & evidence

ORD record
ord-ac31b26af89e4623b922fa76fc230379
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

Loading…