1,2-Dichloroethane → HCID 136352265, compound

HRID 1117969Notes

Reaction equation

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

Participants

Reactant 7

HCID 111,2-Dichloroethane

HCID 769Bicarbonate Ion

HCID 923Sodium ion

HCID 6228Dimethylformamide

HCID 15655Cyclopropanecarboxylic acid

HCID 757711-Hydroxybenzotriazole

HCID 1363522453-(1H-benzo[d]imidazol-2-yl)-1-(tetrahydro-2H-pyran-2-yl)-1H-indazol-5-amine

Product 1

HCID 136352265HCID 136352265, compound

Sources & evidence

ORD record: ord-85ca5f1d086b4e0b83e7d3e3e4e62e61
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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