Water → HCID 21907513, compound

HRID 1136536Notes

Reaction equation

HRID 1136536 reaction equation
[CH2:37]1[O:38][CH2:39][CH2:40][CH2:41]1.[CH:16]([N:17]([CH:18]([CH3:19])[CH3:20])[CH2:21][CH3:22])([CH3:23])[CH3:24].[Cl:25][C:26](=[O:27])[O:28][CH2:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[NH2:1][c:2]1[cH:3][c:4]([N+:13](=[O:14])[O-:15])[c:5]([CH3:12])[c:6]([C:7](=[O:8])[O:9][CH3:10])[cH:11]1.[OH2:36]>>[NH:1]([c:2]1[cH:3][c:4]([N+:13](=[O:14])[O-:15])[c:5]([CH3:12])[c:6]([C:7](=[O:8])[O:9][CH3:10])[cH:11]1)[C:26](=[O:27])[O:28][CH2:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1

Participants

6

Reactant 5

HCID 962WaterHCID 8028TetrahydrofuranHCID 10387Benzyl chloroformateHCID 81531DiisopropylethylamineHCID 21907563Methyl 5-amino-2-methyl-3-nitrobenzoate

Product 1

HCID 21907513HCID 21907513, compound

Sources & evidence

ORD record
ord-0f4a48dfebff4a579429f49fc36c5f37
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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