Water → HCID 58392374, compound

HRID 316522Notes

Reaction equation

HRID 316522 reaction equation
[Al+3:30].[CH3:36][C:37]#[N:38].[Cl:1][c:2]1[cH:3][c:4]([F:28])[c:5]([CH:9]([CH2:10][C:11](=[O:12])[O:13][CH2:14][CH3:15])[c:16]2[cH:17][nH:18][c:19]3[c:20]([CH2:25][S:26][CH3:27])[cH:21][cH:22][cH:23][c:24]23)[c:6]([F:8])[cH:7]1.[H-:29].[H-:32].[H-:33].[H-:34].[Li+:31].[O:39]1[CH2:40][CH2:41][CH2:42][CH2:43]1.[OH2:35]>>[Cl:1][c:2]1[cH:3][c:4]([F:28])[c:5]([CH:9]([CH2:10][CH2:11][OH:12])[c:16]2[cH:17][nH:18][c:19]3[c:20]([CH2:25][S:26][CH3:27])[cH:21][cH:22][cH:23][c:24]23)[c:6]([F:8])[cH:7]1

Participants

8

Sources & evidence

ORD record
ord-8a15aa47445f49a99358c6a766b0bb9e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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