Isopropanol → HCID 77195747, compound

HRID 2348825Notes

Reaction equation

HRID 2348825 reaction equation
[CH:46]([OH:47])([CH3:48])[CH3:49].[Cl:50][CH2:51][Cl:52].[NH2:1][c:2]1[cH:3][c:4]([CH2:5][O:6][CH2:7][CH2:8][O:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][N:16]2[C:17](=[O:33])[O:18][CH:19]([c:21]3[cH:22][c:23]4[c:24]([cH:31][cH:32]3)[O:25][C:26]([CH3:29])([CH3:30])[O:27][CH2:28]4)[CH2:20]2)[cH:34][cH:35][cH:36]1.[O:37]=[C:38]=[N:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1>>[NH:1]([c:2]1[cH:3][c:4]([CH2:5][O:6][CH2:7][CH2:8][O:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][N:16]2[C:17](=[O:33])[O:18][CH:19]([c:21]3[cH:22][c:23]4[c:24]([cH:31][cH:32]3)[O:25][C:26]([CH3:29])([CH3:30])[O:27][CH2:28]4)[CH2:20]2)[cH:34][cH:35][cH:36]1)[C:38](=[O:37])[NH:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1

Participants

5

Reactant 4

HCID 3776IsopropanolHCID 6344DichloromethaneHCID 7672Phenyl isocyanateHCID 178431323HCID 178431323, compound

Product 1

HCID 77195747HCID 77195747, compound

Sources & evidence

ORD record
ord-8773c59819dd4db6875cc7a76846a3a1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…