Water → HCID 86603026, compound

HRID 1212576Notes

Reaction equation

HRID 1212576 reaction equation
[C:36]([c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1)(=[O:43])[Cl:44].[CH2:54]1[O:55][CH2:56][CH2:57][CH2:58]1.[CH3:59][CH2:60][O:61][C:62](=[O:63])[CH3:64].[CH:45]([N:46]([CH:47]([CH3:48])[CH3:49])[CH2:50][CH3:51])([CH3:52])[CH3:53].[N:1]1([c:7]2[cH:8][cH:9][c:10](-[c:13]3[n:14]([CH2:26][c:27]4[c:28]([F:35])[cH:29][c:30]([F:34])[cH:31][c:32]4[F:33])[n:15][c:16]4[c:17]([C:22]([F:23])([F:24])[F:25])[cH:18][cH:19][cH:20][c:21]34)[cH:11][cH:12]2)[CH2:2][CH2:3][NH:4][CH2:5][CH2:6]1.[OH2:65]>>[N:1]1([c:7]2[cH:8][cH:9][c:10](-[c:13]3[n:14]([CH2:26][c:27]4[c:28]([F:35])[cH:29][c:30]([F:34])[cH:31][c:32]4[F:33])[n:15][c:16]4[c:17]([C:22]([F:23])([F:24])[F:25])[cH:18][cH:19][cH:20][c:21]34)[cH:11][cH:12]2)[CH2:2][CH2:3][N:4]([C:36]([c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)=[O:43])[CH2:5][CH2:6]1

Participants

7

Reactant 6

HCID 962WaterHCID 7412Benzoyl chlorideHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 81531DiisopropylethylamineHCID 86603027HCID 86603027, compound

Product 1

HCID 86603026HCID 86603026, compound

Sources & evidence

ORD record
ord-d8baa88986ed4ef4b82b1ebaa882d7a8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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