Water → HCID 59380386, compound

HRID 2328333Notes

Reaction equation

HRID 2328333 reaction equation
[CH3:36][N:37]1[CH2:38][CH2:39][NH:40][CH2:41][CH2:42]1.[CH3:43][N:44]1[CH2:45][CH2:46][O:47][CH2:48][CH2:49]1.[CH3:65][CH2:66][O:67][C:68]([CH3:69])=[O:70].[Cl:1][c:2]1[cH:3][c:4]([NH:17][c:18]2[c:19]3[c:20]([n:21][cH:22][n:23]2)[s:24][c:25]2[c:26]3[cH:27][cH:28][c:29]([CH2:31][CH2:32][C:33](=[O:34])[OH:35])[cH:30]2)[cH:5][cH:6][c:7]1[O:8][CH2:9][c:10]1[cH:11][c:12]([F:16])[cH:13][cH:14][cH:15]1.[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[OH2:71].[OH:50][n:51]1[c:52]2[cH:53][cH:54][cH:55][cH:56][c:57]2[n:58][n:59]1>>[Cl:1][c:2]1[cH:3][c:4]([NH:17][c:18]2[c:19]3[c:20]([n:21][cH:22][n:23]2)[s:24][c:25]2[c:26]3[cH:27][cH:28][c:29]([CH2:31][CH2:32][C:33](=[O:34])[N:40]3[CH2:39][CH2:38][N:37]([CH3:36])[CH2:42][CH2:41]3)[cH:30]2)[cH:5][cH:6][c:7]1[O:8][CH2:9][c:10]1[cH:11][c:12]([F:16])[cH:13][cH:14][cH:15]1

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 79724-MethylmorpholineHCID 8857Ethyl AcetateHCID 531671-MethylpiperazineHCID 757711-HydroxybenzotriazoleHCID 59380443HCID 59380443, compound

Product 1

HCID 59380386HCID 59380386, compound

Sources & evidence

ORD record
ord-a90fa3774a1a498da2bb954b08518c8b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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