1,2-Dichloroethane → HCID 53910045, compound

HRID 1559220Notes

Reaction equation

HRID 1559220 reaction equation
[CH3:16][CH2:17][N:18]([CH2:19][CH3:20])[CH2:21][CH3:22].[CH3:24][O:25][c:26]1[cH:27][cH:28][c:29]([CH:32]([c:33]2[cH:34][n:35][cH:36][cH:37][c:38]2[C:39](=[O:40])[Cl:41])[c:42]2[cH:43][cH:44][c:45]([O:48][CH3:49])[cH:46][cH:47]2)[cH:30][cH:31]1.[Cl:1][CH2:2][CH2:3][Cl:4].[ClH:23].[ClH:5].[NH2:6][C:7]12[CH2:8][CH:9]3[CH2:10][CH:11]1[CH2:12][CH:13]([CH2:14]2)[CH2:15]3.[OH2:50]>>[NH:6]([C:7]12[CH2:8][CH:9]3[CH2:10][CH:11]1[CH2:12][CH:13]([CH2:14]2)[CH2:15]3)[C:39]([c:38]1[c:33]([CH:32]([c:29]2[cH:28][cH:27][c:26]([O:25][CH3:24])[cH:31][cH:30]2)[c:42]2[cH:43][cH:44][c:45]([O:48][CH3:49])[cH:46][cH:47]2)[cH:34][n:35][cH:36][cH:37]1)=[O:40]

Participants

7

Reactant 6

HCID 111,2-DichloroethaneHCID 313Hydrochloric Acid2×HCID 962WaterHCID 8471TriethylamineHCID 2794246HCID 2794246, compoundHCID 18950569HCID 18950569, compound

Product 1

HCID 53910045HCID 53910045, compound

Sources & evidence

ORD record
ord-1def0f32333b4dc3b4f1044e5464360a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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