1,2-Dichloroethane → HCID 178521339, compound

HRID 168092Notes

Reaction equation

HRID 168092 reaction equation
[CH2:46]([Cl:47])[CH2:48][Cl:49].[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[CH3:63][CH2:64][O:65][C:66]([CH3:67])=[O:68].[Cl:60][CH2:61][Cl:62].[NH2:1][CH:2]1[CH:3]([N:8]2[CH2:9][CH:10]([NH:13][C:14]([CH2:15][NH:16][C:17]([c:18]3[cH:19][c:20]([C:24]([F:25])([F:26])[F:27])[cH:21][cH:22][cH:23]3)=[O:28])=[O:29])[CH2:11][CH2:12]2)[CH2:4][CH2:5][CH2:6][CH2:7]1.[OH:30][C:31](=[O:32])[c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[OH:50][n:51]1[c:52]2[c:53]([cH:54][cH:55][cH:56][cH:57]2)[n:58][n:59]1>>[NH:1]([CH:2]1[CH:3]([N:8]2[CH2:9][CH:10]([NH:13][C:14]([CH2:15][NH:16][C:17]([c:18]3[cH:19][c:20]([C:24]([F:25])([F:26])[F:27])[cH:21][cH:22][cH:23]3)=[O:28])=[O:29])[CH2:11][CH2:12]2)[CH2:4][CH2:5][CH2:6][CH2:7]1)[C:31](=[O:30])[c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 243Benzoic AcidHCID 6344DichloromethaneHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 757711-HydroxybenzotriazoleHCID 178507506HCID 178507506, compound

Product 1

HCID 178521339HCID 178521339, compound

Sources & evidence

ORD record
ord-72538475a10f4d29900fe141fbb25b75
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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