1,2-Dichloroethane → HCID 178467358, compound

HRID 2161146Notes

Reaction equation

HRID 2161146 reaction equation
[CH2:17]([CH3:18])[O:19][c:20]1[n:21]([CH2:32][c:33]2[cH:34][cH:35][c:36](-[c:39]3[c:40](-[c:45]4[n:46][n:47][n:48][nH:49]4)[cH:41][cH:42][cH:43][cH:44]3)[cH:37][cH:38]2)[c:22]2[c:23]([n:24]1)[cH:25][cH:26][cH:27][c:28]2[C:29](=[O:30])[OH:31].[CH2:60]([Cl:61])[CH2:62][Cl:63].[CH3:10][CH2:11][N:12]([CH2:13][CH3:14])[CH2:15][CH3:16].[Cl:2][CH2:3][CH:4]([CH2:5][CH:6]([CH3:7])[CH3:8])[NH2:9].[Cl:65][CH2:66][Cl:67].[ClH:1].[ClH:64].[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:2][CH2:3][CH:4]([CH2:5][CH:6]([CH3:7])[CH3:8])[NH:9][C:29]([c:28]1[c:22]2[n:21]([CH2:32][c:33]3[cH:34][cH:35][c:36](-[c:39]4[c:40](-[c:45]5[n:46][n:47][n:48][nH:49]5)[cH:41][cH:42][cH:43][cH:44]4)[cH:37][cH:38]3)[c:20]([O:19][CH2:17][CH3:18])[n:24][c:23]2[cH:25][cH:26][cH:27]1)=[O:30]

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 313Hydrochloric Acid2×HCID 6344DichloromethaneHCID 8471TriethylamineHCID 757711-HydroxybenzotriazoleHCID 18316090HCID 18316090, compoundHCID 178467362HCID 178467362, compound

Product 1

HCID 178467358HCID 178467358, compound

Sources & evidence

ORD record
ord-60157f9c548a498b9071596d1fcafcb4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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