Water → HCID 70032693, compound

HRID 1138466Notes

Reaction equation

HRID 1138466 reaction equation
[CH3:46][C:47]([Cl:48])=[O:49].[F:1][c:2]1[c:3]([CH2:4][NH:5][CH2:6][CH:7]2[N:8]([c:32]3[n:33][cH:34][c:35]([CH2:38][CH2:39][CH3:40])[cH:36][n:37]3)[CH2:9][CH:10]([S:12][C:13]([c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)([c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[CH2:11]2)[cH:41][c:42]([F:45])[cH:43][cH:44]1.[OH2:50].[cH:51]1[cH:52][cH:53][n:54][cH:55][cH:56]1>>[F:1][c:2]1[c:3]([CH2:4][N:5]([CH2:6][CH:7]2[N:8]([c:32]3[n:33][cH:34][c:35]([CH2:38][CH2:39][CH3:40])[cH:36][n:37]3)[CH2:9][CH:10]([S:12][C:13]([c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)([c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[CH2:11]2)[C:47]([CH3:46])=[O:49])[cH:41][c:42]([F:45])[cH:43][cH:44]1

Participants

5

Reactant 4

HCID 962WaterHCID 1049PyridineHCID 6367Acetyl chlorideHCID 70035584HCID 70035584, compound

Product 1

HCID 70032693HCID 70032693, compound

Sources & evidence

ORD record
ord-f8feec26050a4abe95d1b2cf7881ca17
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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