Water → HCID 53311107, compound

HRID 1543426Notes

Reaction equation

HRID 1543426 reaction equation
[CH3:1][O:2][C:3]([c:4]1[cH:5][cH:6][c:7]([NH:10][C:11]([c:12]2[c:13]([Cl:41])[cH:14][c:15]([O:19][c:20]3[c:21]([C:26](=[O:27])[N:28]4[CH2:29][CH2:30][N:31]([CH:38]5[CH2:39][CH2:40]5)[c:32]5[cH:33][cH:34][cH:35][cH:36][c:37]54)[cH:22][n:23][cH:24][cH:25]3)[c:16]([Cl:18])[cH:17]2)=[O:42])[cH:8][cH:9]1)=[O:43].[O:45]1[CH2:46][CH2:47][O:48][CH2:49][CH2:50]1.[OH2:44]>>[O:2]=[C:3]([c:4]1[cH:5][cH:6][c:7]([NH:10][C:11]([c:12]2[c:13]([Cl:41])[cH:14][c:15]([O:19][c:20]3[c:21]([C:26](=[O:27])[N:28]4[CH2:29][CH2:30][N:31]([CH:38]5[CH2:39][CH2:40]5)[c:32]5[cH:33][cH:34][cH:35][cH:36][c:37]54)[cH:22][n:23][cH:24][cH:25]3)[c:16]([Cl:18])[cH:17]2)=[O:42])[cH:8][cH:9]1)[OH:43]

Participants

4

Reactant 3

HCID 962WaterHCID 312751,4-DioxaneHCID 53311106HCID 53311106, compound

Product 1

HCID 53311107HCID 53311107, compound

Sources & evidence

ORD record
ord-08a101e67c5b4cb4b16df06a1a5de4ca
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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