Water → HCID 178514792, compound

HRID 1565372Notes

Reaction equation

HRID 1565372 reaction equation
[F:36][C:37]([F:38])([F:39])[C:40]([OH:41])=[O:42].[OH2:43].[S:1]([NH2:2])([O:3][CH2:4][CH:5]1[CH2:6][CH:7]([n:15]2[c:16]3[n:17][cH:18][n:19][c:20]([NH:24][CH:25]4[CH2:26][CH2:27][c:28]5[cH:29][cH:30][cH:31][cH:32][c:33]54)[c:21]3[n:22][cH:23]2)[CH:8]2[O:9][C:10]([CH3:13])([CH3:14])[O:11][CH:12]12)(=[O:34])=[O:35]>>[S:1]([NH2:2])([O:3][CH2:4][CH:5]1[CH2:6][CH:7]([n:15]2[c:16]3[n:17][cH:18][n:19][c:20]([NH:24][CH:25]4[CH2:26][CH2:27][c:28]5[cH:29][cH:30][cH:31][cH:32][c:33]54)[c:21]3[n:22][cH:23]2)[CH:8]([OH:9])[CH:12]1[OH:11])(=[O:34])=[O:35]

Participants

4

Sources & evidence

ORD record
ord-fca68158a7684946b88ed86e5164d69d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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