1,2-Dichloroethane → HCID 21935234, compound

HRID 187145Notes

Reaction equation

HRID 187145 reaction equation
[CH2:60]([Cl:61])[CH2:62][Cl:63].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH:9]([CH2:10][C:11](=[O:12])[OH:13])[C:14](=[O:15])[N:16]2[CH2:17][CH2:18][N:19]([c:22]3[c:23]([N:28]([S:29](=[O:30])(=[O:31])[CH3:32])[CH2:33][CH:34]4[CH2:35][CH2:36]4)[cH:24][cH:25][cH:26][cH:27]3)[CH2:20][CH2:21]2)[cH:6][cH:7]1.[Cl:64][CH2:65][Cl:66].[N:37]1([C:43](=[O:44])[O:45][C:46]([CH3:47])([CH3:48])[CH3:49])[CH2:38][CH2:39][NH:40][CH2:41][CH2:42]1.[OH:50][n:51]1[c:52]2[c:53]([cH:54][cH:55][cH:56][cH:57]2)[n:58][n:59]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH:9]([CH2:10][C:11](=[O:12])[N:40]2[CH2:39][CH2:38][N:37]([C:43](=[O:44])[O:45][C:46]([CH3:47])([CH3:48])[CH3:49])[CH2:42][CH2:41]2)[C:14](=[O:15])[N:16]2[CH2:17][CH2:18][N:19]([c:22]3[c:23]([N:28]([S:29](=[O:30])(=[O:31])[CH3:32])[CH2:33][CH:34]4[CH2:35][CH2:36]4)[cH:24][cH:25][cH:26][cH:27]3)[CH2:20][CH2:21]2)[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 111,2-DichloroethaneHCID 6344DichloromethaneHCID 757711-HydroxybenzotriazoleHCID 143452tert-Butyl piperazine-1-carboxylateHCID 178505079HCID 178505079, compound

Product 1

HCID 21935234HCID 21935234, compound

Sources & evidence

ORD record
ord-16576307954f40caaead1da621a1bb5b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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