Water → 2-Amino-1-phenyl-1,3-propanediol

HRID 160599Notes

Reaction equation

HRID 160599 reaction equation
[CH:37]([OH:38])([CH3:39])[CH3:40].[Cl:2][c:3]1[c:4]([CH:9]([C:10](=[O:11])[OH:12])[N:13]2[CH2:14][c:15]3[c:16]([s:19][cH:20][cH:21]3)[CH2:17][CH2:18]2)[cH:5][cH:6][cH:7][cH:8]1.[NH2:22][CH:23]([CH:24]([OH:25])[c:26]1[cH:27][cH:28][c:29]([N+:32]([O-:33])=[O:34])[cH:30][cH:31]1)[CH2:35][OH:36].[OH2:1]>>[Cl:2][c:3]1[c:4]([CH:9]([C:10](=[O:11])[OH:12])[N:13]2[CH2:14][c:15]3[c:16]([s:19][cH:20][cH:21]3)[CH2:17][CH2:18]2)[cH:5][cH:6][cH:7][cH:8]1.[NH2:22][CH:23]([CH:24]([OH:25])[c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)[CH2:35][OH:36]

Participants

6

Reactant 4

HCID 962WaterHCID 3776IsopropanolHCID 927432-Amino-1-(4-nitrophenyl)-1,3-propanediolHCID 41295462-(2-chlorophenyl)-2-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetic acid

Product 2

HCID 1029712-Amino-1-phenyl-1,3-propanediolHCID 41295462-(2-chlorophenyl)-2-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetic acid

Sources & evidence

ORD record
ord-bc3d2fddce0c426eb9f03488eb970a39
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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