Water → HCID 88306896, compound

HRID 2314165Notes

Reaction equation

HRID 2314165 reaction equation
[Cl:43][CH2:44][Cl:45].[F:10][C:11]([c:12]1[cH:13][c:14]([C:15](=[O:16])[N:17]2[CH:18]([CH2:23][c:24]3[cH:25][nH:26][c:27]4[cH:28][cH:29][cH:30][cH:31][c:32]34)[CH2:19][NH:20][CH2:21][CH2:22]2)[cH:33][c:34]([C:36]([F:37])([F:38])[F:39])[cH:35]1)([F:40])[F:41].[O:1]=[C:2]=[N:3][CH:4]1[CH2:5][CH2:6][CH2:7][CH2:8][CH2:9]1.[OH2:42]>>[O:1]=[C:2]([NH:3][CH:4]1[CH2:5][CH2:6][CH2:7][CH2:8][CH2:9]1)[N:20]1[CH2:19][CH:18]([CH2:23][c:24]2[cH:25][nH:26][c:27]3[cH:28][cH:29][cH:30][cH:31][c:32]23)[N:17]([C:15]([c:14]2[cH:13][c:12]([C:11]([F:10])([F:40])[F:41])[cH:35][c:34]([C:36]([F:37])([F:38])[F:39])[cH:33]2)=[O:16])[CH2:22][CH2:21]1

Participants

5

Reactant 4

HCID 962WaterHCID 6344DichloromethaneHCID 18502Cyclohexyl isocyanateHCID 21978777[3,5-bis(trifluoromethyl)phenyl]-[2-(1H-indol-3-ylmethyl)piperazin-1-yl]methanone

Product 1

HCID 88306896HCID 88306896, compound

Sources & evidence

ORD record
ord-90a19de4d3364e8295c8d37409b266ec
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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