Benzenesulfonic Acid → HCID 58346321, compound

HRID 1551616Notes

Reaction equation

HRID 1551616 reaction equation
[CH3:50][CH:51]([OH:52])[CH2:53][CH2:54][CH3:55].[Cl:1][c:2]1[cH:3][c:4]([C:8](=[O:9])[c:10]2[cH:11][c:12]3[c:13]([nH:14][c:15](=[O:17])[o:16]3)[c:18]([CH3:20])[cH:19]2)[n:5][cH:6][n:7]1.[NH2:21][c:22]1[cH:23][c:24]2[c:28]([cH:29][cH:30]1)[CH2:27][C:26]1([CH2:25]2)[C:31](=[O:39])[NH:32][c:33]2[n:34][cH:35][cH:36][cH:37][c:38]21.[c:40]1([S:41]([OH:42])(=[O:43])=[O:44])[cH:45][cH:46][cH:47][cH:48][cH:49]1>>[c:2]1([NH:21][c:22]2[cH:23][c:24]3[c:28]([cH:29][cH:30]2)[CH2:27][C:26]2([CH2:25]3)[C:31](=[O:39])[NH:32][c:33]3[n:34][cH:35][cH:36][cH:37][c:38]32)[cH:3][c:4]([C:8](=[O:9])[c:10]2[cH:11][c:12]3[c:13]([nH:14][c:15](=[O:17])[o:16]3)[c:18]([CH3:20])[cH:19]2)[n:5][cH:6][n:7]1

Participants

5

Reactant 4

HCID 7371Benzenesulfonic AcidHCID 223862-PentanolHCID 581812066-(6-chloropyrimidine-4-carbonyl)-4-methyl-3H-benzoxazol-2-oneHCID 591667225-amino-1,3-dihydrospiro[indene-2,3'-pyrrolo[2,3-b]pyridin]-2'(1'H)-one

Product 1

HCID 58346321HCID 58346321, compound

Sources & evidence

ORD record
ord-7804c01c336f4829a01ccdcb96ee3899
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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