Ethyl Acetate → HCID 21129881, compound

HRID 2350770Notes

Reaction equation

HRID 2350770 reaction equation
[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[Cl:1][c:2]1[c:3]([O:4][c:5]2[cH:6][n:7][c:8]3[cH:9][cH:10][cH:11][cH:12][c:13]3[cH:14]2)[c:15]([Cl:22])[cH:16][c:17]([N+:19]([O-:20])=[O:21])[cH:18]1.[Cl:23][c:24]1[cH:25][c:26]([N+:27]([O-:28])=[O:29])[cH:30][c:31]([Cl:32])[c:33]1[O:34][c:35]1[cH:36][n:37][c:38]2[c:39]([cH:40]1)[cH:41][cH:42][cH:43][cH:44]2.[V:51]>>[Cl:1][c:2]1[c:3]([O:4][c:5]2[cH:6][n:7][c:8]3[cH:9][cH:10][cH:11][cH:12][c:13]3[cH:14]2)[c:15]([Cl:22])[cH:16][c:17]([NH2:19])[cH:18]1

Participants

4

Sources & evidence

ORD record
ord-95450827936140e49bc0341ebd690ca4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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