Water → HCID 67234805, compound

HRID 209256Notes

Reaction equation

HRID 209256 reaction equation
[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[CH3:6][c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1.[CH:14]([c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)=[C:21]1[CH2:22][CH:23]2[CH:24]3[CH2:25][CH2:26][c:27]4[cH:28][c:29]([OH:40])[cH:30][cH:31][c:32]4[CH:33]3[CH2:34][CH2:35][C:36]2([CH3:39])[C:37]1=[O:38].[OH2:13].[S:1]([NH2:2])(=[O:3])(=[O:4])[Cl:5]>>[S:1]([NH2:2])(=[O:3])(=[O:4])[O:40][c:29]1[cH:28][c:27]2[c:32]([cH:31][cH:30]1)[CH:33]1[CH:24]([CH:23]3[CH2:22][C:21](=[CH:14][c:15]4[cH:16][cH:17][cH:18][cH:19][cH:20]4)[C:37](=[O:38])[C:36]3([CH3:39])[CH2:35][CH2:34]1)[CH2:25][CH2:26]2

Participants

6

Reactant 5

HCID 962WaterHCID 1140TolueneHCID 8857Ethyl AcetateHCID 24499Chlorosulfamic acidHCID 67236326HCID 67236326, compound

Product 1

HCID 67234805HCID 67234805, compound

Sources & evidence

ORD record
ord-2e6dd89aa0ae4be285075d292fdff705
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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