1,2-Dichloroethane → HCID 178437520, compound

HRID 1121705Notes

Reaction equation

HRID 1121705 reaction equation
[CH2:77]([Cl:78])[CH2:79][Cl:80].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][c:8]([S:12](=[O:13])(=[O:14])[NH:15][CH2:16][c:17]2[c:18]([NH:30][CH:31]3[CH2:32][CH2:33][O:34][CH2:35][CH2:36]3)[c:19]3[c:20]([n:21][c:22]2[CH2:23][CH3:24])[n:25]([CH2:28][CH3:29])[n:26][cH:27]3)[c:9]([F:11])[cH:10]1.[Cl:81][CH2:82][Cl:83].[NH2:37][CH2:38][c:39]1[cH:40][cH:41][c:42]([F:66])[c:43](-[c:45]2[cH:46][c:47]([CH2:51][N:52]3[CH2:53][CH:54]([CH3:65])[N:55]([C:58](=[O:59])[O:60][C:61]([CH3:62])([CH3:63])[CH3:64])[CH2:56][CH2:57]3)[cH:48][cH:49][cH:50]2)[cH:44]1.[OH:67][n:68]1[c:69]2[c:70]([cH:71][cH:72][cH:73][cH:74]2)[n:75][n:76]1>>[Cl:1][c:2]1[c:3]([C:4](=[O:5])[NH:37][CH2:38][c:39]2[cH:40][cH:41][c:42]([F:66])[c:43](-[c:45]3[cH:46][c:47]([CH2:51][N:52]4[CH2:53][CH:54]([CH3:65])[N:55]([C:58](=[O:59])[O:60][C:61]([CH3:62])([CH3:63])[CH3:64])[CH2:56][CH2:57]4)[cH:48][cH:49][cH:50]3)[cH:44]2)[cH:7][c:8]([S:12](=[O:13])(=[O:14])[NH:15][CH2:16][c:17]2[c:18]([NH:30][CH:31]3[CH2:32][CH2:33][O:34][CH2:35][CH2:36]3)[c:19]3[c:20]([n:21][c:22]2[CH2:23][CH3:24])[n:25]([CH2:28][CH3:29])[n:26][cH:27]3)[c:9]([F:11])[cH:10]1

Participants

6

Reactant 5

HCID 111,2-DichloroethaneHCID 6344DichloromethaneHCID 757711-HydroxybenzotriazoleHCID 578132602-chloro-5-[({[1,6-diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}amino)sulfonyl]-4-fluorobenzoic acidHCID 70989768Tert-butyl 4-[[3-[5-(aminomethyl)-2-fluorophenyl]phenyl]methyl]-2-methylpiperazine-1-carboxylate

Product 1

HCID 178437520HCID 178437520, compound

Sources & evidence

ORD record
ord-352bb5f4b69c492184f0d84bb147b082
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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