Water → HCID 19704928, compound

HRID 1570346Notes

Reaction equation

[CH3:28][CH2:29][N:30]([CH2:31][CH3:32])[CH2:33][CH3:34].[CH3:44][N:45]([CH3:46])[CH:47]=[O:48].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2=[N:9][CH:10]([CH2:24][C:25](=[O:26])[OH:27])[c:11]3[n:12]([c:20]([CH3:23])[n:21][n:22]3)-[c:13]3[c:14]2[c:15]([CH3:19])[c:16]([CH3:18])[s:17]3)[cH:6][cH:7]1.[OH2:43].[c:35]1([NH2:42])[cH:36][cH:37][c:38]([NH2:41])[cH:39][cH:40]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2=[N:9][CH:10]([CH2:24][C:25](=[O:26])[NH:42][c:35]3[cH:36][cH:37][c:38]([NH2:41])[cH:39][cH:40]3)[c:11]3[n:12]([c:20]([CH3:23])[n:21][n:22]3)-[c:13]3[c:14]2[c:15]([CH3:19])[c:16]([CH3:18])[s:17]3)[cH:6][cH:7]1

Participants

Reactant 5

HCID 962Water

HCID 6228Dimethylformamide

HCID 7814P-Phenylenediamine

HCID 8471Triethylamine

HCID 197049212-[7-(4-Chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetraazatricyclo[8.3.0.0,2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetic acid

Product 1

HCID 19704928HCID 19704928, compound

Sources & evidence

ORD record: ord-ea5cd1f171644a4dba1cb1c6e3edb306
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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