Water → HCID 178429608, compound

HRID 1557221Notes

Reaction equation

HRID 1557221 reaction equation
[CH2:1]([CH:2]=[CH2:3])[C:4]1([CH3:45])[CH2:5][CH:6]([C:36](=[O:37])[NH:38][c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[n:7]2[c:8]1[n:9][cH:10][c:11]([N:14]([C:15]([O:16][CH2:17][c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)=[O:24])[CH2:25][c:26]1[cH:27][c:28]([C:32]([F:33])([F:34])[F:35])[cH:29][cH:30][cH:31]1)[c:12]2=[O:13].[CH3:47][C:48]#[N:49].[Cl:50][C:51]([Cl:52])([Cl:53])[Cl:54].[OH2:46].[OH2:55]>>[CH2:1]([C:2](=[O:46])[OH:55])[C:4]1([CH3:45])[CH2:5][CH:6]([C:36](=[O:37])[NH:38][c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[n:7]2[c:8]1[n:9][cH:10][c:11]([N:14]([C:15]([O:16][CH2:17][c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)=[O:24])[CH2:25][c:26]1[cH:27][c:28]([C:32]([F:33])([F:34])[F:35])[cH:29][cH:30][cH:31]1)[c:12]2=[O:13]

Participants

5

Reactant 4

HCID 962Water2×HCID 5943Carbon TetrachlorideHCID 6342AcetonitrileHCID 20603993HCID 20603993, compound

Product 1

HCID 178429608HCID 178429608, compound

Sources & evidence

ORD record
ord-69ac979de6f043048c9b0971f74d5a42
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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