1,2-Dichloroethane → HCID 59589900, compound

HRID 2324691Notes

Reaction equation

HRID 2324691 reaction equation
[CH2:43]([Cl:44])[CH2:45][Cl:46].[CH:47]([N:48]([CH:49]([CH3:50])[CH3:51])[CH2:52][CH3:53])([CH3:54])[CH3:55].[Cl:34][c:35]1[cH:36][cH:37][c:38]([CH2:39][NH2:40])[cH:41][cH:42]1.[N:1]1([CH2:6][CH2:7][O:8][c:9]2[cH:10][cH:11][c:12]([NH:15][c:16]3[n:17][n:18]4[c:19]([cH:20][cH:21][cH:22][c:23]4-[c:24]4[cH:25][c:26]([C:27](=[O:28])[OH:29])[cH:30][cH:31][cH:32]4)[n:33]3)[cH:13][cH:14]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[OH:56][n:57]1[c:58]2[c:59]([cH:60][cH:61][cH:62][cH:63]2)[n:64][n:65]1>>[N:1]1([CH2:6][CH2:7][O:8][c:9]2[cH:10][cH:11][c:12]([NH:15][c:16]3[n:17][n:18]4[c:19]([cH:20][cH:21][cH:22][c:23]4-[c:24]4[cH:25][c:26]([C:27](=[O:28])[NH:40][CH2:39][c:38]5[cH:37][cH:36][c:35]([Cl:34])[cH:42][cH:41]5)[cH:30][cH:31][cH:32]4)[n:33]3)[cH:13][cH:14]2)[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

6

Reactant 5

HCID 111,2-DichloroethaneHCID 660364-ChlorobenzylamineHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 59589749HCID 59589749, compound

Product 1

HCID 59589900HCID 59589900, compound

Sources & evidence

ORD record
ord-51b51abb716a4aaf8d87c46cde6df4fa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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