Water → HCID 21802382, compound

HRID 115473Notes

Reaction equation

HRID 115473 reaction equation
[B-:29]([F:30])([F:31])([F:32])[F:33].[CH2:34]([n+:35]1[c:36]2[cH:37][cH:38][cH:39][cH:40][c:41]2[o:42][c:43]1[Cl:44])[CH3:45].[CH2:47]([Cl:48])[Cl:49].[CH3:22][CH2:23][N:24]([CH2:25][CH3:26])[CH2:27][CH3:28].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]([CH2:9][n:10]2[n:11][cH:12][n:13][cH:14]2)([CH2:15][CH2:16][CH2:17][CH3:18])[NH:19][CH:20]=[O:21])[cH:6][cH:7]1.[OH2:46]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]([CH2:9][n:10]2[n:11][cH:12][n:13][cH:14]2)([CH2:15][CH2:16][CH2:17][CH3:18])[N+:19]#[C-:20])[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 962WaterHCID 6344DichloromethaneHCID 8471TriethylamineHCID 26255TetrafluoroborateHCID 2724241HCID 2724241, compoundHCID 21802383HCID 21802383, compound

Product 1

HCID 21802382HCID 21802382, compound

Sources & evidence

ORD record
ord-85612857f6d743f39b9a50219e398e81
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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