5-Isocyanato-1,2,3-trimethoxybenzene → HCID 178501003, compound

HRID 307579

Reaction equation

HRID 307579 reaction equation
[CH3:40][O:41][c:42]1[cH:43][c:44]([N:52]=[C:53]=[O:54])[cH:45][c:46]([O:50][CH3:51])[c:47]1[O:48][CH3:49].[cH:1]1[c:2]2[c:12]([cH:13][cH:14][cH:15]1)-[c:7]1[c:6]([cH:11][cH:10][cH:9][cH:8]1)[CH:3]2[CH2:4][O:5][C:16](=[O:17])[NH:18][CH:19]([CH2:20][S:21][CH2:22][CH:23]([CH2:24][C:25](=[O:26])[OH:27])[C:28]([c:29]1[cH:30][n:31][cH:32][cH:33][cH:34]1)=[O:35])[C:36](=[O:37])[O:38][CH3:39]>>[C:16](=[O:17])([NH:18][CH:19]([CH2:20][S:21][CH2:22][CH:23]([CH2:24][C:25](=[O:26])[OH:27])[C:28]([c:29]1[cH:30][n:31][cH:32][cH:33][cH:34]1)=[O:35])[C:36](=[O:37])[O:38][CH3:39])[NH:52][c:44]1[cH:43][c:42]([O:41][CH3:40])[c:47]([O:48][CH3:49])[c:46]([O:50][CH3:51])[cH:45]1

Participants

3

Reactant 2

HCID 5177665-Isocyanato-1,2,3-trimethoxybenzeneHCID 178501004HCID 178501004, compound

Product 1

HCID 178501003HCID 178501003, compound

Sources & evidence

ORD record
ord-e9abb064239c4c51a0c9b8c8d6e81e73
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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