Water → HCID 59463859, compound

HRID 302204Notes

Reaction equation

HRID 302204 reaction equation
[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[Cl:40][CH2:41][Cl:42].[F:1][c:2]1[cH:3][c:4]([CH2:5][n:6]2[cH:7][c:8]([S:18][c:19]3[c:20]([N+:25](=[O:26])[O-:27])[cH:21][cH:22][cH:23][cH:24]3)[c:9]3[cH:10][cH:11][c:12]([C:15](=[O:16])[NH2:17])[cH:13][c:14]23)[cH:28][c:29]([F:31])[cH:30]1.[OH2:39]>>[F:1][c:2]1[cH:3][c:4]([CH2:5][n:6]2[cH:7][c:8]([S:18][c:19]3[c:20]([N+:25](=[O:26])[O-:27])[cH:21][cH:22][cH:23][cH:24]3)[c:9]3[cH:10][cH:11][c:12]([C:15]#[N:17])[cH:13][c:14]23)[cH:28][c:29]([F:31])[cH:30]1

Participants

5

Reactant 4

HCID 962WaterHCID 6344DichloromethaneHCID 8471TriethylamineHCID 59463837HCID 59463837, compound

Product 1

HCID 59463859HCID 59463859, compound

Sources & evidence

ORD record
ord-bc459b2c75ba4423bb5986b9462caa10
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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