Water → HCID 67070043, compound

HRID 2310702Notes

Reaction equation

HRID 2310702 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[n:10][cH:11][cH:12][cH:13][c:14]1-[c:15]1[cH:16][c:17]([C:33]([CH3:34])([CH3:35])[CH3:36])[c:18]([O:31][CH3:32])[c:19]([NH:21][C:22](=[O:23])[c:24]2[n:25][n:26][c:27]([Cl:30])[cH:28][cH:29]2)[cH:20]1.[CH3:44][N:45]1[CH2:46][CH2:47][CH2:48][C:49]1=[O:50].[F:37][C:38]([CH2:39][NH2:40])([F:41])[F:42].[OH2:43]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[n:10][cH:11][cH:12][cH:13][c:14]1-[c:15]1[cH:16][c:17]([C:33]([CH3:34])([CH3:35])[CH3:36])[c:18]([O:31][CH3:32])[c:19]([NH:21][C:22](=[O:23])[c:24]2[n:25][n:26][c:27]([NH:40][CH2:39][C:38]([F:37])([F:41])[F:42])[cH:28][cH:29]2)[cH:20]1

Participants

5

Reactant 4

HCID 962WaterHCID 9773Ethanamine, 2,2,2-trifluoro-HCID 13387N-methyl-2-pyrrolidoneHCID 86638345HCID 86638345, compound

Product 1

HCID 67070043HCID 67070043, compound

Sources & evidence

ORD record
ord-a78eb542be7449ea9167220d21595042
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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