1,2-Dichloroethane → HCID 66905435, compound

HRID 1201290Notes

Reaction equation

HRID 1201290 reaction equation
[CH3:23][O:24][C:25]([c:26]1[cH:27][c:28]([Cl:35])[c:29]([N:32]=[C:33]=[O:34])[cH:30][cH:31]1)=[O:36].[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[CH:1]1([NH:7][c:8]2[n:9](-[c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[n:10][c:11]3[c:16]2[CH2:15][CH2:14][CH2:13][CH2:12]3)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[Cl:44][CH2:45][CH2:46][Cl:47]>>[CH:1]1([N:7]([c:8]2[n:9](-[c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[n:10][c:11]3[c:16]2[CH2:15][CH2:14][CH2:13][CH2:12]3)[C:33]([NH:32][c:29]2[c:28]([Cl:35])[cH:27][c:26]([C:25]([O:24][CH3:23])=[O:36])[cH:31][cH:30]2)=[O:34])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

5

Reactant 4

HCID 111,2-DichloroethaneHCID 8471TriethylamineHCID 45111767HCID 45111767, compoundHCID 866402623-Chloro-4-isocyanato-benzoic acid methyl ester

Product 1

HCID 66905435HCID 66905435, compound

Sources & evidence

ORD record
ord-8e995c2604944b3f96e7b1fb81538e08
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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