1,2-Dichloroethane → HCID 178437516, compound
Reaction equation
[CH2:1]([CH3:2])[n:3]1[n:4][cH:5][c:6]2[c:7]1[n:8][c:9]([CH2:29][CH3:30])[c:10]([CH2:19][NH:20][C:21](=[O:22])[C:23]1([C:26](=[O:27])[OH:28])[CH2:24][CH2:25]1)[c:11]2[NH:12][CH:13]1[CH2:14][CH2:15][O:16][CH2:17][CH2:18]1.[CH2:71]([Cl:72])[CH2:73][Cl:74].[Cl:75][CH2:76][Cl:77].[NH2:31][CH2:32][c:33]1[cH:34][cH:35][c:36]([F:60])[c:37](-[c:39]2[cH:40][c:41]([CH2:45][N:46]3[CH2:47][CH:48]([CH3:59])[N:49]([C:52](=[O:53])[O:54][C:55]([CH3:56])([CH3:57])[CH3:58])[CH2:50][CH2:51]3)[cH:42][cH:43][cH:44]2)[cH:38]1.[OH:61][n:62]1[c:63]2[c:64]([cH:65][cH:66][cH:67][cH:68]2)[n:69][n:70]1>>[CH2:1]([CH3:2])[n:3]1[n:4][cH:5][c:6]2[c:7]1[n:8][c:9]([CH2:29][CH3:30])[c:10]([CH2:19][NH:20][C:21](=[O:22])[C:23]1([C:26](=[O:27])[NH:31][CH2:32][c:33]3[cH:34][cH:35][c:36]([F:60])[c:37](-[c:39]4[cH:40][c:41]([CH2:45][N:46]5[CH2:47][CH:48]([CH3:59])[N:49]([C:52](=[O:53])[O:54][C:55]([CH3:56])([CH3:57])[CH3:58])[CH2:50][CH2:51]5)[cH:42][cH:43][cH:44]4)[cH:38]3)[CH2:24][CH2:25]1)[c:11]2[NH:12][CH:13]1[CH2:14][CH2:15][O:16][CH2:17][CH2:18]1Participants
6
Reactant 5
HCID 111,2-Dichloroethane
HCID 6344Dichloromethane
HCID 757711-Hydroxybenzotriazole
HCID 578198681-[({[1,6-diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}amino)carbonyl]cyclopropanecarboxylic acid
HCID 70989768Tert-butyl 4-[[3-[5-(aminomethyl)-2-fluorophenyl]phenyl]methyl]-2-methylpiperazine-1-carboxylateProduct 1
Sources & evidence
- ORD record
- ord-3b6f43b4969b4c799d59a0bdb1207ab1
- Source dataset
- Test data from https://doi.org/10.1039/C8SC04228D
Reaction notes
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