1,2-Dichloroethane → HCID 21201854, compound

HRID 2139031Notes

Reaction equation

HRID 2139031 reaction equation
[CH2:39]([CH3:40])[CH:41]([C:42](=[O:43])[Cl:44])[CH2:45][CH3:46].[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[Cl:54][CH2:55][CH2:56][Cl:57].[OH2:53].[c:1]1([CH3:38])[c:2]([C:7](=[O:8])[CH2:9][N:10]2[C:11](=[O:37])[CH:12]([NH:22][C:23](=[O:24])[NH:25][c:26]3[cH:27][c:28]([C:32](=[O:33])[O:34][CH2:35][CH3:36])[cH:29][cH:30][cH:31]3)[CH2:13][NH:14][c:15]3[c:16]2[cH:17][c:18]([CH3:21])[cH:19][cH:20]3)[cH:3][cH:4][cH:5][cH:6]1.[cH:47]1[cH:48][cH:49][n:50][cH:51][cH:52]1>>[c:1]1([CH3:38])[c:2]([C:7](=[O:8])[CH2:9][N:10]2[C:11](=[O:37])[CH:12]([NH:22][C:23](=[O:24])[NH:25][c:26]3[cH:27][c:28]([C:32](=[O:33])[O:34][CH2:35][CH3:36])[cH:29][cH:30][cH:31]3)[CH2:13][N:14]([C:42]([CH:41]([CH2:39][CH3:40])[CH2:45][CH3:46])=[O:43])[c:15]3[c:16]2[cH:17][c:18]([CH3:21])[cH:19][cH:20]3)[cH:3][cH:4][cH:5][cH:6]1

Participants

7

Reactant 6

HCID 111,2-DichloroethaneHCID 962WaterHCID 1049PyridineHCID 8857Ethyl AcetateHCID 759542-Ethylbutyryl chlorideHCID 212016301-[1-(2-toluoylmethyl)-2-oxo-8-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-3-yl]-3-(3-ethoxycarbonylphenyl)urea

Product 1

HCID 21201854HCID 21201854, compound

Sources & evidence

ORD record
ord-9ed9e87dadb14e2b84d0b660eecf36cd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…