Water → HCID 17840754, compound

HRID 1137609Notes

Reaction equation

HRID 1137609 reaction equation
[CH2:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[n:15]1[c:16]([CH:24]([CH2:25][c:26]2[cH:27][nH:28][c:29]3[cH:30][cH:31][cH:32][cH:33][c:34]23)[NH2:35])[n:17][c:18]([C:20]([CH3:21])([CH3:22])[CH3:23])[cH:19]1.[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:44][C:45]#[N:46].[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[Cl:36][CH2:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[OH2:53]>>[CH2:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[n:15]1[c:16]([CH:24]([CH2:25][c:26]2[cH:27][nH:28][c:29]3[cH:30][cH:31][cH:32][cH:33][c:34]23)[NH:35][CH2:37][c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[n:17][c:18]([C:20]([CH3:21])([CH3:22])[CH3:23])[cH:19]1

Participants

7

Reactant 6

HCID 962WaterHCID 6342AcetonitrileHCID 7503Benzyl ChlorideHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 70130699HCID 70130699, compound

Product 1

HCID 17840754HCID 17840754, compound

Sources & evidence

ORD record
ord-d74d092bb3884b6b8ee3e59694f5e932
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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