Water → HCID 14969215, compound

HRID 1132132Notes

Reaction equation

HRID 1132132 reaction equation
[CH3:1][CH:2]([CH3:3])[c:4]1[c:5]([NH:13][C:14]([CH2:15][C:16]([CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][O:28][CH:29]2[CH2:30][CH2:31][CH2:32][CH2:33][O:34]2)=[O:35])=[O:36])[c:6]([CH:10]([CH3:11])[CH3:12])[cH:7][cH:8][cH:9]1.[CH:49]([Cl:50])([Cl:51])[Cl:52].[OH2:48].[c:37]1([CH3:38])[cH:39][cH:40][c:41]([S:42]([OH:43])(=[O:44])=[O:45])[cH:46][cH:47]1>>[CH3:1][CH:2]([CH3:3])[c:4]1[c:5]([NH:13][C:14]([CH2:15][C:16]([CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][OH:28])=[O:35])=[O:36])[c:6]([CH:10]([CH3:11])[CH3:12])[cH:7][cH:8][cH:9]1

Participants

5

Reactant 4

HCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 6212ChloroformHCID 14969214HCID 14969214, compound

Product 1

HCID 14969215HCID 14969215, compound

Sources & evidence

ORD record
ord-4af2f2da93b043dfa8fe6120202ad6fa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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