Water → HCID 69693766, compound

HRID 1536025Notes

Reaction equation

HRID 1536025 reaction equation
[CH2:17]([c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[N:24]1[CH2:25][CH:26]([NH2:29])[CH2:27][CH2:28]1.[CH3:30][N:31]1[CH2:32][CH2:33][O:34][CH2:35][CH2:36]1.[CH3:47][N:48]([CH3:49])[CH:50]=[O:51].[CH:1]1([C:6]([C:7](=[O:8])[OH:9])([c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[OH:16])[CH2:2][CH2:3][CH2:4][CH2:5]1.[OH2:52].[OH:37][n:38]1[c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]2[n:45][n:46]1>>[CH:1]1([C:6]([C:7](=[O:9])[NH:29][CH:26]2[CH2:25][N:24]([CH2:17][c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[CH2:28][CH2:27]2)([c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[OH:16])[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

7

Reactant 6

HCID 962WaterHCID 6228DimethylformamideHCID 79724-MethylmorpholineHCID 757711-HydroxybenzotriazoleHCID 98283alpha-Cyclopentylmandelic acidHCID 27566131-Benzyl-3-aminopyrrolidine

Product 1

HCID 69693766HCID 69693766, compound

Sources & evidence

ORD record
ord-7a2c6e0860914e1699df96bab68d5c53
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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