1,2-Dichloroethane → HCID 178463331, compound

HRID 1143570Notes

Reaction equation

HRID 1143570 reaction equation
[CH2:43]([Cl:44])[CH2:45][Cl:46].[CH3:48][N:49]([CH3:50])[CH:51]=[O:52].[CH3:53][CH2:54][N:55]([CH2:56][CH3:57])[CH2:58][CH3:59].[ClH:47].[ClH:5].[NH2:1][CH2:2][CH2:3][OH:4].[OH:33][n:34]1[c:35]2[cH:36][cH:37][cH:38][cH:39][c:40]2[n:41][n:42]1.[c:6]1([CH:16]([CH3:17])[NH:18][CH:19]2[CH2:20][N:21]([c:24]3[cH:25][cH:26][c:27]([C:28](=[O:29])[OH:30])[cH:31][cH:32]3)[CH2:22][CH2:23]2)[cH:7][cH:8][cH:9][c:10]2[cH:11][cH:12][cH:13][cH:14][c:15]12>>[NH:1]([CH2:2][CH2:3][OH:4])[C:28]([c:27]1[cH:26][cH:25][c:24]([N:21]2[CH2:20][CH:19]([NH:18][CH:16]([c:6]3[cH:7][cH:8][cH:9][c:10]4[cH:11][cH:12][cH:13][cH:14][c:15]34)[CH3:17])[CH2:23][CH2:22]2)[cH:32][cH:31]1)=[O:29]

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 313Hydrochloric Acid2×HCID 700EthanolamineHCID 6228DimethylformamideHCID 8471TriethylamineHCID 757711-HydroxybenzotriazoleHCID 72478210HCID 72478210, compound

Product 1

HCID 178463331HCID 178463331, compound

Sources & evidence

ORD record
ord-c623488cd9de47a9949cf44de928f321
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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