Water → HCID 23652792, compound

HRID 137846Notes

Reaction equation

HRID 137846 reaction equation
[CH3:47][CH2:48][O:49][C:50]([CH3:51])=[O:52].[Cl:1][C:2](=[O:3])[O:4][CH3:5].[Cl:38][CH2:39][Cl:40].[F:6][c:7]1[c:8]([C:34]([F:35])([F:36])[F:37])[cH:9][c:10]([NH:13][C:14](=[O:15])[c:16]2[cH:17][cH:18][cH:19][c:20]3[cH:21][c:22]([CH2:26][c:27]4[n:28][cH:29][n:30][c:31]([NH2:33])[cH:32]4)[cH:23][cH:24][c:25]23)[cH:11][cH:12]1.[OH2:53].[cH:41]1[cH:42][cH:43][n:44][cH:45][cH:46]1>>[C:2](=[O:3])([O:4][CH3:5])[NH:33][c:31]1[n:30][cH:29][n:28][c:27]([CH2:26][c:22]2[cH:21][c:20]3[cH:19][cH:18][cH:17][c:16]([C:14]([NH:13][c:10]4[cH:9][c:8]([C:34]([F:35])([F:36])[F:37])[c:7]([F:6])[cH:12][cH:11]4)=[O:15])[c:25]3[cH:24][cH:23]2)[cH:32]1

Participants

7

Reactant 6

HCID 962WaterHCID 1049PyridineHCID 6344DichloromethaneHCID 6586Methyl chloroformateHCID 8857Ethyl AcetateHCID 23652721HCID 23652721, compound

Product 1

HCID 23652792HCID 23652792, compound

Sources & evidence

ORD record
ord-62fe825e9f684b2aa7609dced3814466
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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