Isopropanol → HCID 13689393, compound

HRID 1149044Notes

Reaction equation

HRID 1149044 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]([CH2:15][CH2:16][N:17]2[CH2:18][CH2:19][CH:20]([CH:23]3[O:24][c:25]4[c:26]([cH:33][cH:34][cH:35][cH:36]4)[CH2:27][n:28]4[c:29]3[cH:30][cH:31][cH:32]4)[CH2:21][CH2:22]2)[cH:13][cH:14]1.[CH:39]([OH:40])([CH3:41])[CH3:42].[H:37][H:38]>>[OH:8][c:9]1[cH:10][cH:11][c:12]([CH2:15][CH2:16][N:17]2[CH2:18][CH2:19][CH:20]([CH:23]3[O:24][c:25]4[c:26]([cH:33][cH:34][cH:35][cH:36]4)[CH2:27][n:28]4[c:29]3[cH:30][cH:31][cH:32]4)[CH2:21][CH2:22]2)[cH:13][cH:14]1

Participants

4

Reactant 3

HCID 3776IsopropanolHCID 13689392HCID 13689392, compoundHCID 178418361HCID 178418361, compound

Product 1

HCID 13689393HCID 13689393, compound

Sources & evidence

ORD record
ord-8d7cd10826f440a0b3666844b68e8d13
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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