Water → HCID 20393037, compound

HRID 1219869Notes

Reaction equation

HRID 1219869 reaction equation
[CH2:24]([C:25]([CH2:26][CH3:27])=[O:28])[CH3:29].[CH3:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[CH3:5][c:6]1[cH:7][c:8]([CH3:23])[c:9]2[c:10]([n:22]1)[NH:11][c:12]1[c:13]([cH:18][cH:19][cH:20][cH:21]1)[N:14]([CH3:17])[C:15]2=[O:16].[Cl:1][C:2]([Cl:3])=[O:4].[OH2:43].[cH:30]1[cH:31][cH:32][n:33][cH:34][cH:35]1>>[Cl:1][C:2](=[O:4])[N:11]1[c:10]2[c:9]([c:8]([CH3:23])[cH:7][c:6]([CH3:5])[n:22]2)[C:15](=[O:16])[N:14]([CH3:17])[c:13]2[c:12]1[cH:21][cH:20][cH:19][cH:18]2

Participants

7

Reactant 6

HCID 962WaterHCID 1049PyridineHCID 1140TolueneHCID 6371PhosgeneHCID 7288Ethyl ketoneHCID 20393030HCID 20393030, compound

Product 1

HCID 20393037HCID 20393037, compound

Sources & evidence

ORD record
ord-d3b8cf22a7534c58a220c86834de11f4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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