Water → HCID 58728949, compound

HRID 2347340Notes

Reaction equation

HRID 2347340 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:9](=[O:10])[NH:11][c:12]2[c:13]([CH3:40])[c:14](-[c:18]3[cH:19][n:20]([CH3:39])[c:21](=[O:38])[c:22]([NH:24][c:25]4[cH:26][cH:27][c:28]([CH2:31][CH2:32][O:33][S:34]([CH3:35])(=[O:36])=[O:37])[cH:29][cH:30]4)[n:23]3)[cH:15][cH:16][cH:17]2)[cH:41][cH:42]1.[CH3:51][C:52]#[N:53].[NH2:43][CH:44]1[CH2:45][CH2:46][O:47][CH2:48][CH2:49]1.[OH2:50]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:9](=[O:10])[NH:11][c:12]2[c:13]([CH3:40])[c:14](-[c:18]3[cH:19][n:20]([CH3:39])[c:21](=[O:38])[c:22]([NH:24][c:25]4[cH:26][cH:27][c:28]([CH2:31][CH2:32][NH:43][CH:44]5[CH2:45][CH2:46][O:47][CH2:48][CH2:49]5)[cH:29][cH:30]4)[n:23]3)[cH:15][cH:16][cH:17]2)[cH:41][cH:42]1

Participants

5

Reactant 4

HCID 962WaterHCID 6342AcetonitrileHCID 4192234-AminotetrahydropyranHCID 86608448HCID 86608448, compound

Product 1

HCID 58728949HCID 58728949, compound

Sources & evidence

ORD record
ord-2aa4d02e7a4f4bcea6bed6f53f033194
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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