Water → HCID 73000636, compound

HRID 1559610Notes

Reaction equation

HRID 1559610 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][CH:11]([CH2:14][N:15]2[c:16]3[c:17]([cH:44][c:45]([CH3:52])[c:46]([C:48]([F:49])([F:50])[F:51])[cH:47]3)[CH:18]([N:22]([c:23]3[n:24][n:25][n:26]([CH3:28])[n:27]3)[CH2:29][c:30]3[cH:31][c:32]([C:40]([F:41])([F:42])[F:43])[cH:33][c:34]([C:36]([F:37])([F:38])[F:39])[cH:35]3)[CH2:19][CH2:20][CH2:21]2)[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[Cl:60][CH2:61][Cl:62].[OH2:63].[OH:53][C:54]([C:55]([F:56])([F:57])[F:58])=[O:59]>>[NH:8]1[CH2:9][CH2:10][CH:11]([CH2:14][N:15]2[c:16]3[c:17]([cH:44][c:45]([CH3:52])[c:46]([C:48]([F:49])([F:50])[F:51])[cH:47]3)[CH:18]([N:22]([c:23]3[n:24][n:25][n:26]([CH3:28])[n:27]3)[CH2:29][c:30]3[cH:31][c:32]([C:40]([F:41])([F:42])[F:43])[cH:33][c:34]([C:36]([F:37])([F:38])[F:39])[cH:35]3)[CH2:19][CH2:20][CH2:21]2)[CH2:12][CH2:13]1

Participants

5

Reactant 4

HCID 962WaterHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 72297364HCID 72297364, compound

Product 1

HCID 73000636HCID 73000636, compound

Sources & evidence

ORD record
ord-46c9d63131754400baf2ca164b3b0ccf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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