Hydrochloric Acid → HCID 59292935, compound

HRID 312357Notes

Reaction equation

HRID 312357 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[cH:15][cH:16][c:17]([NH:20][C:21](=[O:22])[c:23]3[c:24]4[n:25][cH:26][cH:27][n:28][c:29]4[c:30](-[c:33]4[c:34]([Cl:44])[c:35]([O:42][CH3:43])[cH:36][c:37]([O:40][CH3:41])[c:38]4[Cl:39])[cH:31][cH:32]3)[cH:18][cH:19]2)[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[Cl:52][CH2:53][Cl:54].[ClH:45].[O:46]1[CH2:47][CH2:48][O:49][CH2:50][CH2:51]1.[OH2:55]>>[NH:8]1[CH2:9][CH2:10][N:11]([c:14]2[cH:15][cH:16][c:17]([NH:20][C:21](=[O:22])[c:23]3[c:24]4[n:25][cH:26][cH:27][n:28][c:29]4[c:30](-[c:33]4[c:34]([Cl:44])[c:35]([O:42][CH3:43])[cH:36][c:37]([O:40][CH3:41])[c:38]4[Cl:39])[cH:31][cH:32]3)[cH:18][cH:19]2)[CH2:12][CH2:13]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 962WaterHCID 6344DichloromethaneHCID 312751,4-DioxaneHCID 866411394-(4-{[8-(2,6-Dichloro-3,5-dimethoxy-phenyl)-quinoxaline-5-carbonyl]-amino}-phenyl)-piperazine-1-carboxylic acid tert-butyl ester

Product 1

HCID 59292935HCID 59292935, compound

Sources & evidence

ORD record
ord-b9b21e81b4664c96a1bb4410cd210f3d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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