Methanol → 1-{3-[4-(2-Chloro-phenyl)-9-methyl-6H-1-thia-5,7,8,9a-tetraaza-cyclopenta[e]azulen-2-yl]-prop-2-ynyl}-1H-indole-2,3-dione

HRID 687652

Reaction equation

HRID 687652 reaction equation
[C:37]([O:38][CH2:39][CH3:40])(=[O:41])[CH3:42].[CH2:23]([C:24]#[CH:25])[N:26]1[C:27](=[O:36])[C:28](=[O:35])[c:29]2[cH:30][cH:31][cH:32][cH:33][c:34]21.[CH3:43][OH:44].[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[Cl:1][c:2]1[c:3]([C:8]2=[N:9][CH2:10][c:11]3[n:12]([c:19]([CH3:22])[n:20][n:21]3)-[c:13]3[c:14]2[cH:15][c:16]([I:18])[s:17]3)[cH:4][cH:5][cH:6][cH:7]1>>[Cl:1][c:2]1[c:3]([C:8]2=[N:9][CH2:10][c:11]3[n:12]([c:19]([CH3:22])[n:20][n:21]3)-[c:13]3[c:14]2[cH:15][c:16]([C:25]#[C:24][CH2:23][N:26]2[C:27](=[O:36])[C:28](=[O:35])[c:29]4[cH:30][cH:31][cH:32][cH:33][c:34]42)[s:17]3)[cH:4][cH:5][cH:6][cH:7]1

Participants

5

Reactant 4

HCID 887MethanolHCID 8857Ethyl Acetate2×HCID 19090021-(Prop-2-yn-1-yl)-1H-indole-2,3-dioneHCID 14851924HCID 14851924, compound

Product 1

HCID 148518591-{3-[4-(2-Chloro-phenyl)-9-methyl-6H-1-thia-5,7,8,9a-tetraaza-cyclopenta[e]azulen-2-yl]-prop-2-ynyl}-1H-indole-2,3-dione

Sources & evidence

ORD record
ord-4e2501ab3ad4465fa39ac3b114a8ebe3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

Loading…