Water → HCID 86595513, compound
Reaction equation
[CH3:24][O:25][CH2:26][CH2:27][S:28](=[O:29])(=[O:30])[Cl:31].[NH2:1][c:2]1[cH:3][c:4]([C:8]2([OH:23])[CH:9]3[CH2:10][N:11]([CH2:16][c:17]4[cH:18][cH:19][cH:20][cH:21][cH:22]4)[CH2:12][CH:13]2[CH2:14][CH2:15]3)[cH:5][cH:6][cH:7]1.[OH2:32].[cH:33]1[cH:34][cH:35][n:36][cH:37][cH:38]1>>[NH:1]([c:2]1[cH:3][c:4]([C:8]2([OH:23])[CH:9]3[CH2:10][N:11]([CH2:16][c:17]4[cH:18][cH:19][cH:20][cH:21][cH:22]4)[CH2:12][CH:13]2[CH2:14][CH2:15]3)[cH:5][cH:6][cH:7]1)[S:28]([CH2:27][CH2:26][O:25][CH3:24])(=[O:29])=[O:30]Participants
5
Sources & evidence
- ORD record
- ord-ca36b8bc26504a54a885d3f41f497fcf
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)