Water → HCID 14156369, compound

HRID 1134020

Reaction equation

[CH2:29]([Cl:30])[Cl:31].[CH:1]12[CH2:2][CH:3]([CH2:4][CH2:5]1)[C:6](=[O:7])[O:8][C:9]2=[O:10].[NH2:11][CH2:12][CH2:13][CH2:14][CH2:15][N:16]1[CH2:17][CH2:18][N:19]([c:22]2[cH:23][c:24]([Cl:28])[cH:25][cH:26][cH:27]2)[CH2:20][CH2:21]1.[OH2:40].[c:32]1([CH3:33])[c:34]([CH3:35])[cH:36][cH:37][cH:38][cH:39]1>>[CH:1]12[CH2:2][CH:3]([CH2:4][CH2:5]1)[C:6](=[O:8])[N:11]([CH2:12][CH2:13][CH2:14][CH2:15][N:16]1[CH2:17][CH2:18][N:19]([c:22]3[cH:23][c:24]([Cl:28])[cH:25][cH:26][cH:27]3)[CH2:20][CH2:21]1)[C:9]2=[O:10]

Participants

Reactant 5

HCID 962Water

HCID 6344Dichloromethane

HCID 7237O-Xylene

HCID 2397991,3-Cyclopentanedicarboxylic anhydride

HCID 128407044-[4-(3-Chlorophenyl)piperazin-1-yl]butan-1-amine

Product 1

HCID 14156369HCID 14156369, compound

Sources & evidence

ORD record: ord-bcd7e54162c647b8af8501eab783c7ef
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

Linked notes

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