Water → HCID 178422709, compound

HRID 1546098Notes

Reaction equation

HRID 1546098 reaction equation
[CH3:1][S:2]([O:3][CH2:6][CH2:7][O:8][c:9]1[c:10]([CH3:32])[cH:11][c:12](-[c:16]2[cH:17][cH:18][c:19]([C:22](=[O:23])[O:24][CH2:25][c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[cH:20][cH:21]2)[cH:13][c:14]1[CH3:15])(=[O:4])=[O:5].[CH3:53][N:54]([CH3:55])[CH:56]=[O:57].[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[CH:45]([NH:46][CH:47]([CH3:48])[CH3:49])([CH3:50])[CH3:51].[NH2:33][CH:34]([CH:35]([OH:36])[c:37]1[cH:38][cH:39][c:40]([OH:43])[cH:41][cH:42]1)[CH3:44].[OH2:52]>>[CH2:6]([CH2:7][O:8][c:9]1[c:10]([CH3:32])[cH:11][c:12](-[c:16]2[cH:17][cH:18][c:19]([C:22](=[O:23])[O:24][CH2:25][c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[cH:20][cH:21]2)[cH:13][c:14]1[CH3:15])[NH:33][CH:34]([CH:35]([OH:36])[c:37]1[cH:38][cH:39][c:40]([OH:43])[cH:41][cH:42]1)[CH3:44]

Participants

7

Reactant 6

HCID 962WaterHCID 6228DimethylformamideHCID 7912DiisopropylamineHCID 8857Ethyl AcetateHCID 110994-(2-Amino-1-hydroxypropyl)phenolHCID 23090786Benzyl 4'-(2-methanesulfonyloxy-ethoxy)-3'5'-dimethylbiphenyl-4-carboxylate

Product 1

HCID 178422709HCID 178422709, compound

Sources & evidence

ORD record
ord-34df67da084f4743827bf32761c6b15f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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